SCHEMBL5796067

SCHEMBL5796067

O=C(O)Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.61
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
AKR1C3 P42330 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3926479 0.85 HSD11B1 (0.61) HSD11B1ALDH1A1MEN1KMT2AHTT
SCHEMBL5797968 0.84 KMT2A (0.68) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5794917 0.82 HDAC3 (0.51) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL3926842 0.79 HSD11B1 (0.62) HSD11B1MEN1KMT2A
SCHEMBL3618451 0.78 KMT2A (0.73) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL5794925 0.77 MCL1 (0.48) HSD11B1ALDH1A1HDAC1MCL1
SCHEMBL9927453 0.76 HSD11B1 (1.00) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13485906 0.73 HSD11B1 (0.61) HSD11B1ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL21392233 0.71 CTPS1 (0.64)
SCHEMBL6438335 0.71 ALDH1A1 (0.69) ALDH1A1KMT2AGAATDP1KAT6A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050908-A1 INHIBITORS OF 11ΒΕΤΑ-HYDROXY STEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) EVOTEC AG (DE) 2006-05-18 WO disclosed